Repositories
List of libraries, scripts, and workflows developed and used in our research.
📁 SARBO
Sparse-Adaptive Representation-based Bayesian Optimization
📁 AI-Guided Workflow for Computational Materials Discovery
AI-guided Workflow for the Discovery of Acid-Stable Oxides
📁 Artificial Intelligence for Materials Science
Introductory tutorials applying AI/ML methods in materials science.
📁 Materials Database from All-electron Hybrid Functional DFT Calculations
Repository supporting the accompanying scientific data publication.